Indole

Indole

SCHEMBL9739454

COc1c(C)c(C)c2c(c1C)[C@@H]1Cc3ccccc3[C@@H]1N2.c1ccc2[nH]ccc2c1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
AHR P35869 1/20 0.35
ADK P55263 1/20 0.35
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HSD11B1 P28845 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8946348 0.89 KDM4E (0.33)
SCHEMBL8946353 0.89 KDM4E (0.33)
SCHEMBL8946358 0.89 KDM4E (0.33)
SCHEMBL8946594 0.73 KDM4E (0.37)
SCHEMBL8946600 0.73 KDM4E (0.37)
SCHEMBL8946604 0.73 KDM4E (0.37)
SCHEMBL8946709 0.71 ALDH1A1 (0.39)
SCHEMBL8946715 0.71 ALDH1A1 (0.39)
SCHEMBL8946717 0.71 ALDH1A1 (0.39)
SCHEMBL8946289 0.63 HTR2A (0.39)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006956-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1992-04-30 WO disclosed